000			01851nam a22002057a 4500
005			20231027124515.0
008			231027b ||||| |||| 00| 0 eng d
022			_a0021-9584
100			_aMainka, David
245			_aAffordable and Easy Data Exploration of NIR Spectra Using Chemometric Techniques (Journal Article)
260			_aWashington DC _b:American Chemical Society _c,2023
300			_a2435-2441p.
440			_aJournal of Chemical Society _v, Volume 100: Number 6, June 2023
505			_a ***______{For Hard Copy, Please visit Library.}________***
520			_a Abstract: The pharmaceutical industry relies heavily on analytical techniques for identifying and characterizing drug compounds. In this experiment, undergraduate pharmacy students explored the applications of near-infrared spectroscopy for pharmaceutical analysis and its potential for identifying patterns and relationships among pharmaceutical samples. In addition, they were introduced to the chemometrics field using classical pretreatment and data exploration methods. To reduce the need for expensive instrumental equipment, we have developed a small and affordable device based on the DLP NIRscan Nano EVM by Texas Instruments using free software solutions and a 3D-printed case for Raspberry Pi single-board computers. The goal of the experiment was to guide students through all the necessary steps for measuring and analyzing samples using NIR spectroscopy and to encourage their learning through the application of mathematical methods in a defined laboratory setting.
650			_aNIR Spectroscopy| Chemometrics| Principal Component Analysis| Data Exploration| 3D Printing| Jupyter
700			_a Krause, Julius | Großmann, Linus | Link, Andreas | Schulig, Lukas
856			_uhttps://pubs.acs.org/doi/10.1021/acs.jchemed.2c01029
942			_cPER
999			_c44631 _d44630